3-methyl-2-(4-octylphenyl)-4-oxidanylidene-chromene-8-carboxylic acid

Systemtic Name: 3-methyl-2-(4-octylphenyl)-4-oxidanylidene-chromene-8-carboxylic acid Openeye Name: 3-methyl-2-(4-octylphenyl)-4-oxo-chromene-8-carboxylic acid CAS Name: 3-methyl-2-(4-octylphenyl)-4-oxo-1-benzopyran-8-carboxylic acid IUPAC Name: 3-methyl-2-(4-octylphenyl)-4-oxochromene-8-carboxylic acid Traditional Name: 4-keto-3-methyl-2-(4-octylphenyl)chromene-8-carboxylic acid Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=CC=C3)C(=O)O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=CC=C3)C(=O)O)C

InChI

InChI=1S/C25H28O4/c1-3-4-5-6-7-8-10-18-13-15-19(16-14-18)23-17(2)22(26)20-11-9-12-21(25(27)28)24(20)29-23/h9,11-16H,3-8,10H2,1-2H3,(H,27,28)